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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | COMT | P21964 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL257159 | 0.91 | PTGS2 (0.43) | PTGS2PTGS1SLC7A5COMT | |
| SCHEMBL166762 | 0.91 | PTGS2 (0.43) | PTGS2PTGS1SLC7A5COMT | |
| SCHEMBL257131 | 0.91 | PTGS2 (0.43) | PTGS2PTGS1SLC7A5COMT | |
| SCHEMBL882938 | 0.83 | PTGS2 (0.42) | PTGS2PTGS1 | |
| SCHEMBL12669730 | 0.83 | PTGS2 (0.42) | PTGS2PTGS1 | |
| SCHEMBL256549 | 0.81 | CA12 (0.43) | PTGS2PTGS1 | |
| SCHEMBL12367200 | 0.81 | PTGS2 (0.41) | PTGS2PTGS1 | |
| SCHEMBL165364 | 0.81 | CA12 (0.43) | PTGS2PTGS1 | |
| Valine SCHEMBL168080 | 0.78 | SLC7A5 (0.50) | PTGS2PTGS1SLC7A5 | |
| SCHEMBL16604228 | 0.77 | PTGS2 (0.40) | PTGS2PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011041872-A1 | NITRIC OXIDE AMINO ACID ESTER COMPOUNDS FOR THE PROPHYLAXIS OF ANGINA PECTORIS | NITROGENIX INC. (VG) | 2011-04-14 | — | — | WO | disclosed |