Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CHRM1CHRM2CHRM3CHRM4ESR1ESR2GABRA1GABRB1GABRG2GBA1HRH1HTR1DHTR2AOPRD1OPRK1OPRM1SLC6A2SLC6A3TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Cadaverine Tartrate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.43 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.43 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11859555 | 0.92 | RXFP1 (0.51) | TSHRRXFP1ALDH1A1ADORA2BSMN1; SMN2 | |
| SCHEMBL11853055 | 0.89 | TSHR (0.47) | TSHRRXFP1ALDH1A1ADORA2BSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11848882 | 0.88 | RXFP1 (0.51) | TSHRRXFP1ALDH1A1ADORA2BSMN1; SMN2 | |
| SCHEMBL11859590 | 0.87 | ALDH1A1 (0.53) | TSHRRXFP1ALDH1A1ADORA2BSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11853391 | 0.86 | ALDH1A1 (0.51) | TSHRRXFP1ALDH1A1ADORA2BSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11839415 | 0.86 | ALDH1A1 (0.51) | TSHRRXFP1ALDH1A1ADORA2BSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11851640 | 0.86 | TSHR (0.53) | TSHRRXFP1ALDH1A1ADORA2BSMN1; SMN2 | |
| Cadaverine Tartrate SCHEMBL11841907 | 0.84 | ADORA2B (0.40) | TSHRRXFP1ADORA2BSMN1; SMN2POLB | |
| Hydrochloric Acid SCHEMBL11851457 | 0.83 | RXFP1 (0.59) | TSHRRXFP1ALDH1A1ADORA2BSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11849779 | 0.82 | RXFP1 (0.54) | TSHRRXFP1ALDH1A1ADORA2BSMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3998953-A | 1,3,7-Trisubstitued xanthine peripheral vasodilators | BOEHRINGER INGELHEIM GMBH (DT) | 1976-12-21 | — | — | US | disclosed |