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 | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.46 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 3/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| Cadaverine Tartrate SCHEMBL6521196 | 1.00 | HTR1A (0.50) | HTR1AMAOAMAOBBCHEADRA2B | |
| Oxalic Acid SCHEMBL1974437 | 0.90 | HTR1A (0.54) | HTR1AMAOAMAOBBCHEADRA2B | |
| Oxalic Acid SCHEMBL1968009 | 0.90 | HTR1A (0.54) | HTR1AMAOAMAOBBCHEADRA2B | |
| SCHEMBL31046300 | 0.87 | HTR1A (0.62) | HTR1AMAOAMAOBBCHEADRA2B | |
| SCHEMBL1969755 | 0.87 | HTR1A (0.62) | HTR1AMAOAMAOBBCHEADRA2B | |
| SCHEMBL1971780 | 0.87 | HTR1A (0.62) | HTR1AMAOAMAOBBCHEADRA2B | |
| Rasagiline SCHEMBL241721 | 0.80 | ACHE (0.75) | MAOAMAOBBCHEADRA2BADRA2C | |
| Rasagiline SCHEMBL7337913 | 0.80 | ACHE (0.75) | MAOAMAOBBCHEADRA2BADRA2C | |
| Rasagiline SCHEMBL7196981 | 0.80 | ACHE (0.75) | MAOAMAOBBCHEADRA2BADRA2C | |
| Rasagiline SCHEMBL8488531 | 0.80 | ACHE (0.75) | MAOAMAOBBCHEADRA2BADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| EP-2231582-B1 | PROCESS FOR THE SYNTHESIS OF PROPARGYLATED AMINOINDAN DERIVATIVES | CIPLA LTD (IN) | 2011-06-22 | — | — | EP | disclosed |